2j50: Difference between revisions
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== Structural highlights == | == Structural highlights == | ||
<table><tr><td colspan='2'>[[2j50]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2J50 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2J50 FirstGlance]. <br> | <table><tr><td colspan='2'>[[2j50]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2J50 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2J50 FirstGlance]. <br> | ||
</td></tr><tr><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=627:N-[(3E)-5-[(2R)-2-METHOXY-2-PHENYLACETYL]PYRROLO[3,4-C]PYRAZOL-3(5H)-YLIDENE]-4-(4-METHYLPIPERAZIN-1-YL)BENZAMIDE'>627</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>< | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=627:N-[(3E)-5-[(2R)-2-METHOXY-2-PHENYLACETYL]PYRROLO[3,4-C]PYRAZOL-3(5H)-YLIDENE]-4-(4-METHYLPIPERAZIN-1-YL)BENZAMIDE'>627</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr> | ||
<tr><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[1mq4|1mq4]], [[1muo|1muo]], [[1ol5|1ol5]], [[1ol6|1ol6]], [[1ol7|1ol7]], [[2bmc|2bmc]], [[2c6d|2c6d]], [[2c6e|2c6e]], [[2j4z|2j4z]]</td></tr> | <tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[1mq4|1mq4]], [[1muo|1muo]], [[1ol5|1ol5]], [[1ol6|1ol6]], [[1ol7|1ol7]], [[2bmc|2bmc]], [[2c6d|2c6d]], [[2c6e|2c6e]], [[2j4z|2j4z]]</td></tr> | ||
<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Non-specific_serine/threonine_protein_kinase Non-specific serine/threonine protein kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.11.1 2.7.11.1] </span></td></tr> | <tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Non-specific_serine/threonine_protein_kinase Non-specific serine/threonine protein kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.11.1 2.7.11.1] </span></td></tr> | ||
<tr><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2j50 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2j50 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2j50 RCSB], [http://www.ebi.ac.uk/pdbsum/2j50 PDBsum]</span></td></tr> | <tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2j50 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2j50 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2j50 RCSB], [http://www.ebi.ac.uk/pdbsum/2j50 PDBsum]</span></td></tr> | ||
<table> | </table> | ||
== Evolutionary Conservation == | == Evolutionary Conservation == | ||
[[Image:Consurf_key_small.gif|200px|right]] | [[Image:Consurf_key_small.gif|200px|right]] | ||
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[[Category: Homo sapiens]] | [[Category: Homo sapiens]] | ||
[[Category: Non-specific serine/threonine protein kinase]] | [[Category: Non-specific serine/threonine protein kinase]] | ||
[[Category: Berta, D | [[Category: Berta, D]] | ||
[[Category: Bindi, S | [[Category: Bindi, S]] | ||
[[Category: Cameron, A D | [[Category: Cameron, A D]] | ||
[[Category: Fancelli, D | [[Category: Fancelli, D]] | ||
[[Category: Forte, B | [[Category: Forte, B]] | ||
[[Category: Izzo, G | [[Category: Izzo, G]] | ||
[[Category: Rusconi, L | [[Category: Rusconi, L]] | ||
[[Category: Severino, D | [[Category: Severino, D]] | ||
[[Category: Storici, P | [[Category: Storici, P]] | ||
[[Category: Tonani, R | [[Category: Tonani, R]] | ||
[[Category: Varasi, M | [[Category: Varasi, M]] | ||
[[Category: Vianello, P | [[Category: Vianello, P]] | ||
[[Category: Atp-binding]] | [[Category: Atp-binding]] | ||
[[Category: Cell cycle]] | [[Category: Cell cycle]] | ||
Revision as of 19:03, 19 January 2015
STRUCTURE OF AURORA-2 IN COMPLEX WITH PHA-739358STRUCTURE OF AURORA-2 IN COMPLEX WITH PHA-739358
Structural highlights
Evolutionary Conservation Check, as determined by ConSurfDB. You may read the explanation of the method and the full data available from ConSurf. Publication Abstract from PubMedThe optimization of a series of 5-phenylacetyl 1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole derivatives toward the inhibition of Aurora kinases led to the identification of compound 9d. This is a potent inhibitor of Aurora kinases that also shows low nanomolar potency against additional anticancer kinase targets. Based on its high antiproliferative activity on different cancer cell lines, favorable chemico-physical and pharmacokinetic properties, and high efficacy in in vivo tumor models, compound 9d was ultimately selected for further development. 1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazoles: identification of a potent Aurora kinase inhibitor with a favorable antitumor kinase inhibition profile.,Fancelli D, Moll J, Varasi M, Bravo R, Artico R, Berta D, Bindi S, Cameron A, Candiani I, Cappella P, Carpinelli P, Croci W, Forte B, Giorgini ML, Klapwijk J, Marsiglio A, Pesenti E, Rocchetti M, Roletto F, Severino D, Soncini C, Storici P, Tonani R, Zugnoni P, Vianello P J Med Chem. 2006 Nov 30;49(24):7247-51. PMID:17125279[1] From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. See AlsoReferences
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Proteopedia Page Contributors and Editors (what is this?)Proteopedia Page Contributors and Editors (what is this?)
OCACategories:
- Homo sapiens
- Non-specific serine/threonine protein kinase
- Berta, D
- Bindi, S
- Cameron, A D
- Fancelli, D
- Forte, B
- Izzo, G
- Rusconi, L
- Severino, D
- Storici, P
- Tonani, R
- Varasi, M
- Vianello, P
- Atp-binding
- Cell cycle
- Kinase
- Nucleotide- binding
- Nucleotide-binding
- Phosphorylation
- Serine-threonine-protein kinase
- Serine/threonine-protein kinase
- Transferase